2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide

C14H19N3O2S — CID 110666569

IUPAC2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCc2cnc(C)[nH]2)c1
InChIInChI=1S/C14H19N3O2S/c1-10-4-5-11(2)14(8-10)20(18,19)16-7-6-13-9-15-12(3)17-13/h4-5,8-9,16H,6-7H2,1-3H3,(H,15,17)
InChIKeyQOLLCXMATPQXKA-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.86
Rot. Bonds5

About 2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide

2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 110666569) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID110666569
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCc2cnc(C)[nH]2)c1
InChIInChI=1S/C14H19N3O2S/c1-10-4-5-11(2)14(8-10)20(18,19)16-7-6-13-9-15-12(3)17-13/h4-5,8-9,16H,6-7H2,1-3H3,(H,15,17)
InChIKeyQOLLCXMATPQXKA-UHFFFAOYSA-N
XLogP1.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666567
4-chloro-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666564
N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 110666587
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
2,5-dimethyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzenesulfonamide
CID 64531495
N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
CID 114008809
2,5-dimethyl-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzenesulfonamide
CID 110325922
3-acetyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 110666629
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide (CID 110666569) is 2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCc2cnc(C)[nH]2)c1.
What is the InChIKey of 2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is QOLLCXMATPQXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10-4-5-11(2)14(8-10)20(18,19)16-7-6-13-9-15-12(3)17-13/h4-5,8-9,16H,6-7H2,1-3H3,(H,15,17).
What are the key properties of 2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide?
2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(2-methyl-1H-imidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 110666569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).